2-Chloronaphthalene - ≥98% , CAS No.91-58-7

CAS: 91-58-7 Cat. No.: C304963 Formule: C₁₀H₇Cl Poids moléculaire: 162.62 Numéro CE: 202-079-9

QUALITÉ & PURETÉ ≥98%

Synonyms

Q18923298 | RCRA waste no. U047 | Halowax | CCRIS 5995 | 2-Chloronaphthalene 10 microg/mL in Acetonitrile | DTXSID8023971 | GS-6188 | AMY4142 | 2-CHLORONAPHTHALENE [MI] | PCN 2 | RCRA WASTE NUMBER-U047 | 49O81U3ITI | SCHEMBL152521 | AC-13048 | Z1255485910

Storage

Room temperature,Desiccated

Shipped In

Normal

Spécifications

Synonymes

Q18923298 | RCRA waste no. U047 | Halowax | CCRIS 5995 | 2-Chloronaphthalene 10 microg/mL in Acetonitrile | DTXSID8023971 | GS-6188 | AMY4142 | 2-CHLORONAPHTHALENE [MI] | PCN 2 | RCRA WASTE NUMBER-U047 | 49O81U3ITI | SCHEMBL152521 | AC-13048 | Z1255485910

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature,Desiccated

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504751237

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751237

Sourires canoniques

C1=CC=C2C=C(C=CC2=C1)Cl

IUPAC Name

2-chloronaphthalene

InChIKey

CGYGETOMCSJHJU-UHFFFAOYSA-N

INCHI

1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H

Isomères SMILES

C1=CC=C2C=C(C=CC2=C1)Cl

Poids moléculaire

162.62

Reaxy-Rn

1905950

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1905950&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes
      • Subclass Chloronaphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Chloronaphthalenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chloronaphthalenes
• Alternative Parents: Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Chloronaphthalene - Aryl halide - Aryl chloride - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as chloronaphthalenes. These are aromatic heterocyclic compounds containing a naphthalene moiety substituted at one or more positions by a chlorine atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (humaines)

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cibles associées (non humaines)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in benzene, alcohol, chloroform, ether, insoluble in water
• Point d'ébullition (°C): 256 °C
• Point de fusion (°C): 57.0 - 61.0 °C
• Poids moléculaire: 162.610 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 162.024 Da
• Monoisotopic Mass: 162.024 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1